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Screening compounds

Ipi-493

Also known as 17-Aminogeldanamycin, Geldanamycin, 17-amino-17-demethoxy-, IPI 493

CAS 64202-81-9Formula C28H39N3O8Molar mass 545.63 g/mol
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Ipi-493 chemical structure, C28H39N3O8, CAS 64202-81-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64202-81-9
Formula
C28H39N3O8
Molar mass
545.63 g/mol
HS code
293379
Category
Screening compounds

What is Ipi-493?

Plain description, key identifiers and synonyms

17-Aminogeldanamycin is an enamine and an enone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
CAS number
64202-81-9
Molecular formula
C28H39N3O8
UNII
SLQ1AJG3VB
InChIKey
XYFFWTYOFPSZRM-TWNAANEASA-N
InChI
InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1
Canonical SMILES
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O
Isomeric SMILES
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)OC(=O)N)\C)C)O)OC

Synonyms

  • 17-Aminogeldanamycin
  • Geldanamycin, 17-amino-17-demethoxy-
  • IPI 493
  • 17-Aminodemethoxygeldanamycin
  • Oral Hsp90 Inhibitor IPI-493
  • Heat Shock Protein 90 Inhibitor IPI-493
  • 17-Amino Geldanamycin
  • 17-Amino-17-demethoxygeldanamycin
  • 17Aag metabolite m8

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
545.63 g/molcalc.
Exact mass
545.2737 Dacalc.
LogP (octanol/water)
1.72calc.
Topological polar surface area
180.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
39calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=C2CCCCCCC=CCCC=CC=CC(=O)NC(=C1)C2=O

O=C1C=C2CCCCCCC=CCCC=CC=CC(=O)NC(=C1)C2=O

2 rings, 25 atoms.

58 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Ipi-493 suppliers

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Ipi-493 price

Indicative price range per kg from live supplier offers

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Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacology

Oral Hsp90 Inhibitor IPI-493 is an orally bioavailable formulation of the ansamycin derivative 17-amino-17-demethoxygeldanamycin (17-AG) with potential antineoplastic activity. Oral Hsp90 inhibitor IPI-493 binds to and inhibits Hsp90, which may result the in growth inhibition in sensitive tumor cell populations. Hsp90, a 90 kDa molecular chaperone, may be highly expressed in tumor cells, playing a key role in the conformational maturation, stability and function of other substrate or "client" proteins within the cell, many of these client proteins are involved in signal transduction, cell cycle regulation and apoptosis, and may include kinases, transcription factors and hormone receptors.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ipi-493 is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ipi-493 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ipi-493, based on the data on this page

What is Ipi-493?

17-Aminogeldanamycin is an enamine and an enone.

What is the CAS number of Ipi-493?

The CAS registry number of Ipi-493 is 64202-81-9.

What is the molecular formula and weight of Ipi-493?

The molecular formula of Ipi-493 is C28H39N3O8 and its molar mass is 545.63 g/mol.

What is Ipi-493 used for?

Known uses and roles of Ipi-493 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ipi-493 hazardous?

No GHS hazard classification for Ipi-493 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Ipi-493?

Ipi-493 is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ipi-493?

Post a free request on CompoundList and suppliers of Ipi-493 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ipi-493?

Suppliers quote Ipi-493 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ipi-493

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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